SCHEMBL1573022

SCHEMBL1573022

Fc1ccc(-c2nc(C(F)(F)F)nc(Cl)c2-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PSD A5PKW4 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
DPP4 P27487 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK10 P53779 1/20 0.36
PTGS2 P35354 3/20 0.36
MAPK13 O15264 1/20 0.36
ALOX5 P09917 1/20 0.36
GCGR P47871 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
ENPP1 P22413 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3397783 0.93 PTGS2 (0.40) ADORA1PSDSMN1; SMN2PTGS2MEN1
SCHEMBL1573250 0.92 KDM4E (0.42) ADORA2APSDESR1ESR2KDM4E
SCHEMBL1572984 0.87 L3MBTL1 (0.45) ADORA1ADORA2ATDP1PSDESR1
SCHEMBL13744894 0.87 SMN1; SMN2 (0.36) ADORA1ADORA2AKDM4ESMN1; SMN2MAPK14
SCHEMBL2084879 0.83 PTGS2 (0.46) PTGS2
SCHEMBL1572913 0.82 PTGS2 (0.57) PTGS2
SCHEMBL1573094 0.82 PTGS2 (0.57) PTGS2
SCHEMBL2082760 0.81 PDE4A (0.49) ADORA1TDP1PTGS2
SCHEMBL2086108 0.81 PTGS2 (0.51) PTGS2ALOX5
SCHEMBL13744893 0.81 ADORA2A (0.35) ADORA1ADORA2ATDP1SMN1; SMN2PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542978-B1 NOVEL BIO-ACTIVE MOLECULES ORCHID RES LAB LTD (IN) 2011-04-13 EP claimed
US-7317014-B2 Bio-active pyrimidine molecules ORCHID RESEARCH LABORATORIES, LTD. (IN) 2008-01-08 US claimed
EP-1542978-A1 NOVEL BIO-ACTIVE MOLECULES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-06-22 EP claimed
US-20050107413-A1 Novel bio-active molecules ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-05-19 US claimed
WO-2004009560-A1 NOVEL BIO-ACTIVE MOLECULES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO claimed
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 EP disclosed
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 EP disclosed
CN-101965338-B Heterocyclic rings ORCHID RES LAB LTD 2014-09-17 CN disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 US disclosed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 WO disclosed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 WO disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US disclosed
EP-1542978-A1 NOVEL BIO-ACTIVE MOLECULES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-06-22 EP disclosed
US-20050107413-A1 Novel bio-active molecules ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-05-19 US disclosed
WO-2004009560-A1 NOVEL BIO-ACTIVE MOLECULES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107413-A1 Novel bio-active molecules ABCG2, UGT2B7, UGT1A1 ADORA1 940/4885ADORA2A 585/4885TDP1 178/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 ADORA1 1046/4885ADORA2A 700/4885TDP1 2355/4885
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES UMPS, PNP, PDE4A ADORA1 160/4885ADORA2A 103/4885TDP1 301/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.